UCSF

ZINC00054521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 18 No

Popular Name: [2-(4-Methoxy-phenyl)-5-oxo-cyclopent-1-enyl]-acetic acid [2-(4-Methoxy-phenyl)-5-oxo-cycl…

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CAS Numbers: 53272-88-1 , [53272-88-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 7.39 -56.44 0 4 -1 66 245.254 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 133° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.